Geometry & MOs

Info

ID:	170592
PubChem CID:	75257644
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-22.9
Dipole, Da:	4.32
IP(EA), eV:	-9.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)NCC2CC3C=CC2C34CC4

DOS

IR

Vibrations